Geometry & MOs

Info

ID:	374599
PubChem CID:	131331928
Reduced:	FNOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	223.089167
ΔH_f, kcal/mol:	-60.17
Dipole, Da:	3.39
IP(EA), eV:	-9.1(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)F)O)CC(C)C#N

DOS

IR

Vibrations